Acetate → HCID 67406162, compound

HRID 146427Notes

Reaction equation

HRID 146427 reaction equation
[CH3:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[CH3:86][CH2:87][O:88][C:89]([CH3:90])=[O:91].[Cl:62][CH2:63][c:64]1[cH:65][cH:66][n:67][cH:68][cH:69]1.[ClH:61].[F:20][c:21]1[c:22]([C:49]([F:50])([F:51])[F:52])[cH:23][c:24]([NH:27][C:28](=[O:29])[c:30]2[cH:31][cH:32][cH:33][c:34]3[cH:35][c:36]([B:40]4[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]4)[cH:37][cH:38][c:39]23)[cH:25][cH:26]1.[K+:58].[K+:59].[K+:60].[O-:78][C:79]([CH3:80])=[O:81].[O-:82][C:83]([CH3:84])=[O:85].[OH2:92].[P:53]([O-:54])([O-:55])([O-:56])=[O:57].[Pd+2:77].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[F:20][c:21]1[c:22]([C:49]([F:50])([F:51])[F:52])[cH:23][c:24]([NH:27][C:28](=[O:29])[c:30]2[cH:31][cH:32][cH:33][c:34]3[cH:35][c:36]([CH2:63][c:64]4[cH:65][cH:66][n:67][cH:68][cH:69]4)[cH:37][cH:38][c:39]23)[cH:25][cH:26]1

Participants

12

Reactant 11

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 745714-(Chloromethyl)pyridineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 67407004HCID 67407004, compound

Product 1

HCID 67406162HCID 67406162, compound

Sources & evidence

ORD record
ord-1de22cadeff74a7f86490fe00d8ed923
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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